data_image0
_chemical_formula_structural       Ba2Ni2O6
_chemical_formula_sum              "Ba2 Ni2 O6"
_cell_length_a       5.548906091011181
_cell_length_b       5.548907228008052
_cell_length_c       4.689801
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    120.0207553579881

_space_group_name_H-M_alt    "P 1"
_space_group_IT_number       1

loop_
  _space_group_symop_operation_xyz
  'x, y, z'

loop_
  _atom_site_type_symbol
  _atom_site_label
  _atom_site_symmetry_multiplicity
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_occupancy
  Ba  Ba1       1.0  0.3333188001769539  0.6666806074586968  0.749999840078502  1.0000
  Ba  Ba2       1.0  0.666682954005525  0.333320017258879  0.24999994669283404  1.0000
  Ni  Ni1       1.0  0.0  0.0  0.0  1.0000
  Ni  Ni2       1.0  0.0  0.0  0.4999998933856681  1.0000
  O   O1        1.0  0.14941111416747202  0.8505883377474381  0.24999994669283404  1.0000
  O   O2        1.0  0.850590640015007  0.149412286970138  0.749999840078502  1.0000
  O   O3        1.0  0.14957537458651  0.298970388140388  0.24999994669283404  1.0000
  O   O4        1.0  0.701029078149424  0.850424836133658  0.24999994669283404  1.0000
  O   O5        1.0  0.29897087368746994  0.149575788206943  0.749999840078502  1.0000
  O   O6        1.0  0.850423536230346  0.701028154813559  0.749999840078502  1.0000